1-[[(2R)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methyl-pyridin-1-ium

Systemtic Name: 1-[[(2R)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methyl-pyridin-1-ium Openeye Name: 1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methyl-pyridin-1-ium CAS Name: 1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methylpyridin-1-ium IUPAC Name: 1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methylpyridin-1-ium Traditional Name: 1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methyl-pyridin-1-ium Formula: C21H19FNO2+ MolecularWeight: 336.379463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=C[N+](=CC=C1)CC2=C3C(=CC(=C2)F)CO[C@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C21H19FNO2/c1-15-6-5-9-23(12-15)13-17-10-19(22)11-18-14-24-21(25-20(17)18)16-7-3-2-4-8-16/h2-12,21H,13-14H2,1H3/q+1/t21-/m1/s1